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DocumentationIdentifier: MM35212
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35212 |
| SMILES |
N#CC(F)(C#N)CF
|
| InChIKey |
NQGNKFHFSDYHHX-UHFFFAOYSA-N
|
| MW [Da] |
116.07
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97281
Similarity: 0.807
Similarity to MM97281
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8983 |
| Dice metric | 0.8932 |
| MW: | 105.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139946
Similarity: 0.7037
Similarity to MM139946
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8389 |
| Dice metric | 0.8261 |
| MW: | 134.06 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25764
Similarity: 0.614
Similarity to MM25764
| Tanimoto metric | 0.614 |
|---|---|
| Cosine metric | 0.7836 |
| Dice metric | 0.7609 |
| MW: | 98.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+53 more
